Chemical Properties of Tetrahydrocannabinol (CAS 56282-24-7)

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-11,15,18,22H,5-8,12-13H2,1-4H3

InChI Key

SJQJFSCMYCROHP-UHFFFAOYSA-N

Formula

C21H30O2

SMILES

CCCCCC1CC2=C(c3cc(C)ccc3C(C)(C)O2)C(O)C1

Molecular Weight¹

314.46

CAS

56282-24-7

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7658		Relay (1.0) Calculated Property
ΔfG°	90.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-442.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.76	kJ/mol	Joback Calculated Property
ΔvapH°	115.87	kJ/mol	Relay (1.0) Calculated Property
IE	7.53	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	5.323		Crippen Calculated Property
McVol	268.710	ml/mol	McGowan Calculated Property
Pc	1572.21	kPa	Joback Calculated Property
Inp	[2419.00; 2490.00]
Inp	2490.00		NIST
Inp	2471.00		NIST
Inp	2419.00		NIST
Inp	2452.00		NIST
Inp	2460.00		NIST
Inp	2475.00		NIST
Inp	2419.00		NIST
Inp	2460.00		NIST
Inp	2471.00		NIST
Inp	2490.00		NIST
Tboil	657.00	K	Relay (1.0) Calculated Property
Tc	904.28	K	Relay (1.0) Calculated Property
Tfus	372.07	K	Relay (1.0) Calculated Property
Vc	1.001	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.36; 995.53]	J/mol×K	[862.36; 1075.33]
Cp,gas	883.36	J/mol×K	862.36	Joback Calculated Property
Cp,gas	902.49	J/mol×K	897.86	Joback Calculated Property
Cp,gas	921.24	J/mol×K	933.35	Joback Calculated Property
Cp,gas	939.77	J/mol×K	968.85	Joback Calculated Property
Cp,gas	958.22	J/mol×K	1004.34	Joback Calculated Property
Cp,gas	976.76	J/mol×K	1039.84	Joback Calculated Property
Cp,gas	995.53	J/mol×K	1075.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrocannabinol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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